ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate

C17H21NO5 — CID 2373135

IUPACethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H21NO5/c1-2-21-17(20)12-5-7-18(8-6-12)16(19)13-3-4-14-15(11-13)23-10-9-22-14/h3-4,11-12H,2,5-10H2,1H3
InChIKeyYAZJEOXKTLONOT-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.87
Rot. Bonds3

About ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate

ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate (PubChem CID 2373135) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate
PubChem CID2373135
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H21NO5/c1-2-21-17(20)12-5-7-18(8-6-12)16(19)13-3-4-14-15(11-13)23-10-9-22-14/h3-4,11-12H,2,5-10H2,1H3
InChIKeyYAZJEOXKTLONOT-UHFFFAOYSA-N
XLogP1.87
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate (CID 2373135) is ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is YAZJEOXKTLONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-21-17(20)12-5-7-18(8-6-12)16(19)13-3-4-14-15(11-13)23-10-9-22-14/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2373135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).